2-chloro-N-(4-phenylphenyl)acetamide

• ChemBase ID: 233353
• Molecular Formular: C14H12ClNO
• Molecular Mass: 245.70418
• Monoisotopic Mass: 245.06074169
• SMILES: C(=O)(Nc1ccc(c2ccccc2)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H12ClNO/c15-10-14(17)16-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
• InChIKey: IDXDZLUJUXGKJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-phenylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-phenylphenyl)acetamide
• Synonyms: N-1,1'-biphenyl-4-yl-2-chloroacetamide

Database IDs

• CAS Number: 3289-77-8
• MDL Number: MFCD01002187
• PubChem SID: 164289263
• PubChem CID: 2170628

CALCULATED PROPERTIES

• Acid pKa: 13.447949
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3955255
• LogD (pH = 7.4): 3.395525
• Log P: 3.3955255
• Molar Refractivity: 70.8104 cm^3
• Polarizability: 27.984325 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 3.662

Product Information

• Purity: 95%